N-(2-chloro-4-cyanophenyl)-2-methylbenzamide

C15H11ClN2O — CID 103799806

IUPACN-(2-chloro-4-cyanophenyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H11ClN2O/c1-10-4-2-3-5-12(10)15(19)18-14-7-6-11(9-17)8-13(14)16/h2-8H,1H3,(H,18,19)
InChIKeyPCLIIQWNNCHVGL-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.77
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-2-methylbenzamide

N-(2-chloro-4-cyanophenyl)-2-methylbenzamide (PubChem CID 103799806) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-2-methylbenzamide
PubChem CID103799806
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC NameN-(2-chloro-4-cyanophenyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H11ClN2O/c1-10-4-2-3-5-12(10)15(19)18-14-7-6-11(9-17)8-13(14)16/h2-8H,1H3,(H,18,19)
InChIKeyPCLIIQWNNCHVGL-UHFFFAOYSA-N
XLogP3.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
CID 107808194
N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103799786
N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 103811101
2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide
CID 103792073
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-2-methylbenzamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-2-methylbenzamide (CID 103799806) is N-(2-chloro-4-cyanophenyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-2-methylbenzamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C#N)cc1Cl.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-2-methylbenzamide?
The InChIKey is PCLIIQWNNCHVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-10-4-2-3-5-12(10)15(19)18-14-7-6-11(9-17)8-13(14)16/h2-8H,1H3,(H,18,19).
What are the key properties of N-(2-chloro-4-cyanophenyl)-2-methylbenzamide?
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide has a molecular weight of 270.72 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-2-methylbenzamide is sourced from PubChem (CID 103799806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).